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Information card for entry 1564917
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| Coordinates | 1564917.cif |
|---|---|
| Structure factors | 1564917.hkl |
| Original IUCr paper | HTML |
| Common name | 4-(3,5-Dichlorophenyl)-N,N-diphenylaniline |
|---|---|
| Chemical name | 3',5'-Dichloro-<i>N</i>,<i>N</i>-diphenyl-[1,1'-biphenyl]-4-amine |
| Formula | C24 H17 Cl2 N |
| Calculated formula | C24 H17 Cl2 N |
| SMILES | Clc1cc(Cl)cc(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1 |
| Title of publication | 3',5'-Dichloro-<i>N</i>,<i>N</i>-diphenyl-[1,1'-biphenyl]-4-amine |
| Authors of publication | Patel, Dinesh G.; Cox, Jordan M.; Bender, Branden M.; Benedict, Jason B. |
| Journal of publication | IUCrData |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | x211016 |
| a | 14.5188 ± 0.0011 Å |
| b | 7.7744 ± 0.0007 Å |
| c | 18.07 ± 0.0016 Å |
| α | 90° |
| β | 110.447 ± 0.0018° |
| γ | 90° |
| Cell volume | 1911.1 ± 0.3 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0694 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1053 |
| Weighted residual factors for all reflections included in the refinement | 0.1163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269945 (current) | 2021-10-14 | cif/ hkl/ Adding structures of 1564917 via cif-deposit CGI script. |
1564917.cif 1564917.hkl |
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Users of the data should acknowledge the original authors of the
structural data.